4-prop-2-ynylhepta-1,6-diyn-4-ol

C10H10O — CID 87493647

IUPAC4-prop-2-ynylhepta-1,6-diyn-4-ol
SMILESC#CCC(O)(CC#C)CC#C
InChIInChI=1S/C10H10O/c1-4-7-10(11,8-5-2)9-6-3/h1-3,11H,7-9H2
InChIKeyDUJBLXYVKGWBKK-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.79
Rot. Bonds3

About 4-prop-2-ynylhepta-1,6-diyn-4-ol

4-prop-2-ynylhepta-1,6-diyn-4-ol (PubChem CID 87493647) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-prop-2-ynylhepta-1,6-diyn-4-ol.

Molecular Properties

Compound Name4-prop-2-ynylhepta-1,6-diyn-4-ol
PubChem CID87493647
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name4-prop-2-ynylhepta-1,6-diyn-4-ol
SMILESC#CCC(O)(CC#C)CC#C
InChIInChI=1S/C10H10O/c1-4-7-10(11,8-5-2)9-6-3/h1-3,11H,7-9H2
InChIKeyDUJBLXYVKGWBKK-UHFFFAOYSA-N
XLogP0.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-ynylhepta-1,6-diyn-4-ol?
The IUPAC name of 4-prop-2-ynylhepta-1,6-diyn-4-ol (CID 87493647) is 4-prop-2-ynylhepta-1,6-diyn-4-ol.
What is the SMILES notation for 4-prop-2-ynylhepta-1,6-diyn-4-ol?
The canonical SMILES for 4-prop-2-ynylhepta-1,6-diyn-4-ol is C#CCC(O)(CC#C)CC#C.
What is the InChIKey of 4-prop-2-ynylhepta-1,6-diyn-4-ol?
The InChIKey is DUJBLXYVKGWBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-4-7-10(11,8-5-2)9-6-3/h1-3,11H,7-9H2.
What are the key properties of 4-prop-2-ynylhepta-1,6-diyn-4-ol?
4-prop-2-ynylhepta-1,6-diyn-4-ol has a molecular weight of 146.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynylhepta-1,6-diyn-4-ol is sourced from PubChem (CID 87493647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).